MMsINC Database Search


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MMsINC code: MMs02161675

Type: Neutral
Formula: C₁₄H₁₆F₆N₂O

SMILES:

FC(F)(F)C(NC(=O)c1ccccc1)(NCC(C)C)C(F)(F)F

InChI:

InChI=1/C14H16F6N2O/c1-9(2)8-21-12(13(15,16)17,14(18,19)20)22-11(23)10-6-4-3-5-7-10/h3-7,9,21H,8H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.58 kcal/mol

Physical Properties
Molecular Weight: 342.283 g/mol	logS: -4.25064	SlogP: 4.3227	Reactive groups: 0

Topological Properties
Globularity: 0.110006	Sterimol/B1: 2.0773	Sterimol/B2: 2.64976	Sterimol/B3: 5.50326
Sterimol/B4: 6.4256	Sterimol/L: 14.9603

Surface and Volume Properties
Accessible surface: 514.977	Positive charged surface: 232.943	Negative charged surface: 282.034	Volume: 274
Hydrophobic surface: 303.619	Hydrophilic surface: 211.358

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.